1QHZ

NATIVE TETRAGONAL STRUCTURE OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1997-11-01
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	74.540, 74.540, 135.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.950
R-factor	0.172
Rwork	0.172
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a3h
RMSD bond length	0.008
RMSD bond angle	0.023
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.068	0.311
Number of reflections	28709
<I/σ(I)>	31.15	7.7
Completeness [%]	100.0	100
Redundancy	9	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	100 *	PROTEIN (20MGML-1) WAS CRYSTALLISED FROM 28% PEG400 AS PRECIPITANT, 100MM TRIETHANOLAMINE AT PH 7.0 AS BUFFER AND 200 MM CACL2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG400	28 (%)
2	1	reservoir	triehanolamine	100 (mM)
3	1	reservoir	calcium chloride	200 (mM)