1MDR

THE ROLE OF LYSINE 166 IN THE MECHANISM OF MANDELATE RACEMASE FROM PSEUDOMONAS PUTIDA: MECHANISTIC AND CRYSTALLOGRAPHIC EVIDENCE FOR STEREOSPECIFIC ALKYLATION BY (R)-ALPHA-PHENYLGLYCIDATE

Experimental procedure

Spacegroup name	I 4 2 2
格子定数 [Å]	125.150, 125.150, 105.650
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	6.000 - 2.100
R因子	0.151
Rwork	0.151
結合長の平均二乗偏差(RMSD) [Å]	0.016
結合角の平均二乗偏差(RMSD) [度]	23.700 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Quality characteristics

	Overall
分解能 [Å] (高)	2.100 *
Rmerge_l_obs	0.081 *
Total number of observations	89227 *
独立反射数	9974 *
完全性 [%]	85.0 *
冗長性	3.7 *

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Vapor diffusion, hanging drop *	8 *		taken from Neidhart, D.J. et al (1991). Biochemistry, 30, 9264-9273. *

文献の結晶化試薬

ID	結晶ID	溶液	試薬名	濃度 (単位) (単位)	詳細
1	1	drop	enzyme	3 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop		10 (mM)
4	1	drop		0.01 (%)
5	1	reservoir	ammonium sulfate	30 (%sat)