1BRT

BROMOPEROXIDASE A2 MUTANT M99T

Experimental procedure

Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1995-03
Detector	MARRESEARCH
Spacegroup name	I 2 3
Unit cell lengths	121.720, 121.720, 121.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.000 - 1.500
R-factor	0.14
Rwork	0.147
R-free	0.16400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bro
RMSD bond length	0.020
RMSD bond angle	0.034
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.200	1.570
High resolution limit [Å]	1.500	1.500
Rmerge	0.040	0.133
Number of reflections	45113
<I/σ(I)>	22.5	12
Completeness [%]	94.1	84.7
Redundancy	6	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8.5	25 *	1.8 M AMMONIUM SULFATE 0.1 M TRIS/HCL, PH 8.5.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.8 (M)
2	1	reservoir	Tris-HCl	0.1 (M)