2RJH

Crystal structure of biosynthetic alaine racemase in D-cycloserine-bound form from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-11-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 6
Unit cell lengths	147.713, 147.713, 163.724
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.400
Rwork	0.199
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rcq
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	164.399	40.930	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge	0.121	0.037	0.395
Total number of observations		28683	88892
Number of reflections	78993
<I/σ(I)>	6	17	1.9
Completeness [%]	99.9	99.3	99.7
Redundancy	9.7	11.2	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1M HEPES, 1.6M ammonium sulfate, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K