1GQ7

PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-09-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	94.922, 81.348, 120.389
Unit cell angles	90.00, 99.55, 90.00

Refinement procedure

Resolution	35.590 - 2.450
R-factor	0.22 *
Rwork	0.222
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gq6
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.580	2.580
High resolution limit [Å]	2.450	2.450
Rmerge	0.089	0.321
Total number of observations	262831 *
Number of reflections	65708	8947 *
<I/σ(I)>	7.1	2.3
Completeness [%]	98.5	98.5 *
Redundancy	4	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	17 *	24% PEG 400, 100 MM HEPES PH7.5, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	drop			3-fold molar excess
3	1	reservoir	PEG400	24 (%(v/v))
4	1	reservoir	HEPES	0.1 (M)	pH7.5
5	1	reservoir		0.2 (M)